(2E,3Z)-2-ethylidene-3-[(Z)-4-fluoro-2-methylhept-4-en-3-ylidene]-1-methylpyrrole

C15H22FN — CID 167270099

IUPAC(2E,3Z)-2-ethylidene-3-[(Z)-4-fluoro-2-methylhept-4-en-3-ylidene]-1-methylpyrrole
SMILESC/C=c1\c(=C(C(/F)=C/CC)\C(C)C)ccn1C
InChIInChI=1S/C15H22FN/c1-6-8-13(16)15(11(3)4)12-9-10-17(5)14(12)7-2/h7-11H,6H2,1-5H3/b13-8-,14-7+,15-12-
InChIKeyJNPZQQKHIZHVIE-KZTWLDQMSA-N
MW235.35 g/mol
LogP2.90
Rot. Bonds3

About (2E,3Z)-2-ethylidene-3-[(Z)-4-fluoro-2-methylhept-4-en-3-ylidene]-1-methylpyrrole

(2E,3Z)-2-ethylidene-3-[(Z)-4-fluoro-2-methylhept-4-en-3-ylidene]-1-methylpyrrole (PubChem CID 167270099) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-3-[(Z)-4-fluoro-2-methylhept-4-en-3-ylidene]-1-methylpyrrole.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidene-3-[(Z)-4-fluoro-2-methylhept-4-en-3-ylidene]-1-methylpyrrole
PubChem CID167270099
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name(2E,3Z)-2-ethylidene-3-[(Z)-4-fluoro-2-methylhept-4-en-3-ylidene]-1-methylpyrrole
SMILESC/C=c1\c(=C(C(/F)=C/CC)\C(C)C)ccn1C
InChIInChI=1S/C15H22FN/c1-6-8-13(16)15(11(3)4)12-9-10-17(5)14(12)7-2/h7-11H,6H2,1-5H3/b13-8-,14-7+,15-12-
InChIKeyJNPZQQKHIZHVIE-KZTWLDQMSA-N
XLogP2.90
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-ethylidene-3-[(Z)-4-fluoro-2-methylhept-4-en-3-ylidene]-1-methylpyrrole?
The IUPAC name of (2E,3Z)-2-ethylidene-3-[(Z)-4-fluoro-2-methylhept-4-en-3-ylidene]-1-methylpyrrole (CID 167270099) is (2E,3Z)-2-ethylidene-3-[(Z)-4-fluoro-2-methylhept-4-en-3-ylidene]-1-methylpyrrole.
What is the SMILES notation for (2E,3Z)-2-ethylidene-3-[(Z)-4-fluoro-2-methylhept-4-en-3-ylidene]-1-methylpyrrole?
The canonical SMILES for (2E,3Z)-2-ethylidene-3-[(Z)-4-fluoro-2-methylhept-4-en-3-ylidene]-1-methylpyrrole is C/C=c1\c(=C(C(/F)=C/CC)\C(C)C)ccn1C.
What is the InChIKey of (2E,3Z)-2-ethylidene-3-[(Z)-4-fluoro-2-methylhept-4-en-3-ylidene]-1-methylpyrrole?
The InChIKey is JNPZQQKHIZHVIE-KZTWLDQMSA-N. The full InChI is InChI=1S/C15H22FN/c1-6-8-13(16)15(11(3)4)12-9-10-17(5)14(12)7-2/h7-11H,6H2,1-5H3/b13-8-,14-7+,15-12-.
What are the key properties of (2E,3Z)-2-ethylidene-3-[(Z)-4-fluoro-2-methylhept-4-en-3-ylidene]-1-methylpyrrole?
(2E,3Z)-2-ethylidene-3-[(Z)-4-fluoro-2-methylhept-4-en-3-ylidene]-1-methylpyrrole has a molecular weight of 235.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidene-3-[(Z)-4-fluoro-2-methylhept-4-en-3-ylidene]-1-methylpyrrole is sourced from PubChem (CID 167270099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).